Quantum dynamics of the Walden inversion reaction Cl-+CH3Cl->ClCH3+Cl-
Quantum scattering calculations on the 5N2 reaction Cl-+CH3Cl→ClCH3+Cl- are reported. The rotating bond approximation (RBA) has been adapted so that three degrees of freedom including the C-Cl stretching vibration and the CH3 umbrella mode are treated explicitly. The calculations have been done with...
| Autori principali: | , |
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| Natura: | Journal article |
| Pubblicazione: |
1997
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